3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid

C16H19NO4 — CID 83211376

IUPAC3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2ccccc2c1COCC1CCNCC1
InChIInChI=1S/C16H19NO4/c18-16(19)15-13(12-3-1-2-4-14(12)21-15)10-20-9-11-5-7-17-8-6-11/h1-4,11,17H,5-10H2,(H,18,19)
InChIKeyQKHWMZNWMZJCGZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.65
Rot. Bonds5

About 3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid

3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid (PubChem CID 83211376) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid
PubChem CID83211376
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2ccccc2c1COCC1CCNCC1
InChIInChI=1S/C16H19NO4/c18-16(19)15-13(12-3-1-2-4-14(12)21-15)10-20-9-11-5-7-17-8-6-11/h1-4,11,17H,5-10H2,(H,18,19)
InChIKeyQKHWMZNWMZJCGZ-UHFFFAOYSA-N
XLogP2.65
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxan-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 62381602
3-[[methyl(piperidin-4-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 61404819
3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 43120658
3-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-2-carboxylic acid
CID 43120657
3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid
CID 28943189
3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 28943269
3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
CID 2478636
[3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62486710
3-[(dicyclopropylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103247350
N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551177
3-[(oxan-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103239302
3-[[(1-methylpyrrolidin-3-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103245535

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid (CID 83211376) is 3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid is O=C(O)c1oc2ccccc2c1COCC1CCNCC1.
What is the InChIKey of 3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid?
The InChIKey is QKHWMZNWMZJCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-16(19)15-13(12-3-1-2-4-14(12)21-15)10-20-9-11-5-7-17-8-6-11/h1-4,11,17H,5-10H2,(H,18,19).
What are the key properties of 3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid?
3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 83211376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).